2-[2-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]ethoxy]ethanol

C15H26N2O2 — CID 79103165

IUPAC2-[2-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]ethoxy]ethanol
SMILESCCCNC(c1ccn(CCOCCO)c1)C1CC1
InChIInChI=1S/C15H26N2O2/c1-2-6-16-15(13-3-4-13)14-5-7-17(12-14)8-10-19-11-9-18/h5,7,12-13,15-16,18H,2-4,6,8-11H2,1H3
InChIKeyAJMMILDFTCGJFX-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.95
Rot. Bonds10

About 2-[2-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]ethoxy]ethanol

2-[2-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]ethoxy]ethanol (PubChem CID 79103165) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-[2-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]ethoxy]ethanol
PubChem CID79103165
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2-[2-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]ethoxy]ethanol
SMILESCCCNC(c1ccn(CCOCCO)c1)C1CC1
InChIInChI=1S/C15H26N2O2/c1-2-6-16-15(13-3-4-13)14-5-7-17(12-14)8-10-19-11-9-18/h5,7,12-13,15-16,18H,2-4,6,8-11H2,1H3
InChIKeyAJMMILDFTCGJFX-UHFFFAOYSA-N
XLogP1.95
TPSA46.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]butan-1-ol
CID 79104467
N-[cyclopropyl-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]methyl]propan-1-amine
CID 79103596
N-[cyclopropyl-[1-(2-methylsulfonylethyl)pyrrol-3-yl]methyl]propan-1-amine
CID 79103503
2-[2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]ethoxy]ethanol
CID 79096843
3-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]-N,N-dimethylpropanamide
CID 79103501
N-[cyclopropyl-[1-(2-propan-2-ylsulfonylethyl)pyrrol-3-yl]methyl]propan-1-amine
CID 106717799
N-[cyclopropyl-[1-(2-pyridin-4-ylethyl)pyrrol-3-yl]methyl]propan-1-amine
CID 79099233
N-[cyclopropyl-[1-[3-(oxolan-2-yl)propyl]pyrrol-3-yl]methyl]propan-1-amine
CID 79099642
2-[2-[3-[1-(methylamino)butyl]pyrrol-1-yl]ethoxy]ethanol
CID 79107966
N-[cyclopropyl-[1-[(1-methylimidazol-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 79103691
1-cyclopropyl-N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-3-yl]methanamine
CID 79103755
N-[cyclopropyl-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 79099232

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]ethoxy]ethanol (CID 79103165) is 2-[2-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]ethoxy]ethanol is CCCNC(c1ccn(CCOCCO)c1)C1CC1.
What is the InChIKey of 2-[2-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]ethoxy]ethanol?
The InChIKey is AJMMILDFTCGJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-2-6-16-15(13-3-4-13)14-5-7-17(12-14)8-10-19-11-9-18/h5,7,12-13,15-16,18H,2-4,6,8-11H2,1H3.
What are the key properties of 2-[2-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]ethoxy]ethanol?
2-[2-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]ethoxy]ethanol has a molecular weight of 266.38 g/mol, XLogP of 1.95, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]ethoxy]ethanol is sourced from PubChem (CID 79103165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).